Geometry & MOs

Info

ID:	387915
PubChem CID:	134987387
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	-62.13
Dipole, Da:	3.49
IP(EA), eV:	-9.27(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-2-[(E)-prop-1-enyl]-3H-inden-1-one

Drug info:

PubChemData

Smile

CC1=C[C@@]2(CC[C@H]1CC2=O)C(C)(C)C

DOS

IR

Vibrations